N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H15F2N3O4 MolecularWeight: 387.336906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C19H15F2N3O4/c1-2-9-24-18(26)13-6-4-3-5-12(13)16(23-24)17(25)22-11-7-8-14-15(10-11)28-19(20,21)27-14/h3-8,10H,2,9H2,1H3,(H,22,25)